Geometry & MOs

Info

ID:	373791
PubChem CID:	131320105
Reduced:	FSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	240.025643
ΔH_f, kcal/mol:	-142.72
Dipole, Da:	2.24
IP(EA), eV:	-8.84(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-fluoro-3-hydroxy-1-benzothiophen-5-yl)acetate

Drug info:

PubChemData

Smile

COC(=O)CC1=C(C=CC2=C1C=C(S2)F)O

DOS

IR

Vibrations